4RW5

Structural insights into substrate binding of brown spider venom class II phospholipases D

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Phospholipase D LiSicTox-alphaIA1bii	polymer	302	33672.6	1	UniProt (P0CE82) Pfam (PF13653) In PDB	Loxosceles intermedia (Brown spider)	PLD, Dermonecrotic toxin, Loxtox i4, Sphingomyelin phosphodiesterase D 1, SMD 1, SMase D 1, Sphingomyelinase D 1
2	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	A	PALMITIC ACID	non-polymer		256.4	1	Chemie (PLM)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	A	N-TRIDECANOIC ACID	non-polymer		214.3	1	Chemie (TDA)
6	A	OCTANOIC ACID (CAPRYLIC ACID)	non-polymer		144.2	1	Chemie (OCA)
7		water	water		18.0	84	Chemie (HOH)

Sequence modifications

A: 2 - 280 (UniProt: P0CE82)

PDB	External Database	Details
Met -21	-	EXPRESSION TAG
Gly -20	-	EXPRESSION TAG
Ser -19	-	EXPRESSION TAG
Ser -18	-	EXPRESSION TAG
His -17	-	EXPRESSION TAG
His -16	-	EXPRESSION TAG
His -15	-	EXPRESSION TAG
His -14	-	EXPRESSION TAG
His -13	-	EXPRESSION TAG
His -12	-	EXPRESSION TAG
Ser -11	-	EXPRESSION TAG
Ser -10	-	EXPRESSION TAG
Gly -9	-	EXPRESSION TAG
Leu -8	-	EXPRESSION TAG
Val -7	-	EXPRESSION TAG
Pro -6	-	EXPRESSION TAG
Arg -5	-	EXPRESSION TAG
Gly -4	-	EXPRESSION TAG
Ser -3	-	EXPRESSION TAG
His -2	-	EXPRESSION TAG
Met -1	-	EXPRESSION TAG
Leu 0	-	EXPRESSION TAG
Glu 1	-	EXPRESSION TAG
Ala 12	His 34	ENGINEERED MUTATION

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33672.6
Non-Polymers*	Number of molecules	5
	Total formula weight	731.4
All*	Total formula weight	34404.0

*Water molecules are not included.